N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(1-oxidanylidenephthalazin-2-yl)ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(1-oxidanylidenephthalazin-2-yl)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(1-oxophthalazin-2-yl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(1-oxo-2-phthalazinyl)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(1-oxophthalazin-2-yl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(1-ketophthalazin-2-yl)acetamide Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C=N2)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C=N2)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H26N4O4S/c1-17-10-11-19(14-21(17)32(30,31)26-12-6-2-3-7-13-26)25-22(28)16-27-23(29)20-9-5-4-8-18(20)15-24-27/h4-5,8-11,14-15H,2-3,6-7,12-13,16H2,1H3,(H,25,28)